* Corresponding Authors

----------------------------------

 58. Quan Zhang, Yang Zhang, Guoping Gao,* Shengli Zhang,* Potential-Driven Semiconductor-to-Metal Transition in Monolayer Transition Metal Dichalcogenides, Advanced Functional Materials, 2022, **, 2208736. (IF: 19.92)

 57. Quan Zhang, Yang Zhang, Ying Li, Dangqi Fang, Junwei Che, Erhu Zhang, Peng Zhang, Shengli Zhang,* An intrinsic room-temperature half-metallic ferromagnet in a metal-free PN₂ monolayer, Physical Chemistry Chemical Physics, 2022, 24, 7077. (IF: 3.676)

 56. Yameng Li, Lei Li, Rao Huang, Yang Zhang,  Yuhua Wen,* Computational screening of pristine and functionalized ordered TiVC MXenes as highly efficient anode materials for lithium-ion batteries, Nanoscale, 2021, 13, 2995. (IF: 7.790)

 55. Fang-Qiang Li, Yang Zhang,* Sheng-Li Zhang, Defects and Strain Engineering of Structural, Elastic, and Electronic Properties of Boron-Phosphide Monolayer: A Hybrid Density Functional Theory Study, Nanomaterials,  2021, 11, 1395. (IF: 5.076)

 54. Yang Zhang,* Er-Hu Zhang, Ming-Gang Xia, Sheng-Li Zhang, Borophosphene as a promising Dirac anode with large capacity and high-rate capability for sodium-ion batteries, Physical Chemistry Chemical Physics,  2020, 22, 20851. (IF: 3.676)

 53. Saisai Gao, Yang Zhang, Jinglei Bi, Bin Wang,* Chao Li, Jiamei Liu, Chuncai Kong, Sen Yang, Shengchun Yang,* 2D Hydrogenated Boride as Reductant and Stabilizer for in-situ Synthesis of Ultrafine and Surfactant-Free Carbon Supported Noble Metal Electrocatalysts with Enhanced Activity and Stability, Journal of Materials Chemistry A, 2020, 8, 18856. (IF: 11.301)

 52. Lei Li, Rao Huang, Yang Zhang, Yuhua Wen,* Structural, magnetic, and electronic properties of small M-Pt (M = Fe, Co, and Ni) clusters: Insight from density-functional calculations, Journal of Magnetism and Magnetic Materials, 2020, 512, 167047. (IF: 2.717)

 51. Yang Zhang, Jun Kang, Fan Zheng, Peng-Fei Gao, Sheng-Li Zhang, Lin-Wang Wang,* Borophosphene: a New Anisotropic Dirac Cone Monolayer with High Fermi Velocity and Unique Feature of Self-doping, Journal of Physical Chemistry Letters, 2019, 10, 6656-6663. (IF: 7.329)

 50. Haixia Dong, Dangqi Fang, Baihua Gong, Yang Zhang, Erhu Zhang, Shengli Zhang,* Tuning the electronic and magnetic properties of zigzag silicene nanoribbons by 585 defects, Physics Letters A, 2019, 383, 125869. (IF: 2.087)

 49. Tian-Tian Yu, Peng-Fei Gao, Yang Zhang,* Sheng-Li Zhang, Boron-phosphide monolayer as a potential anchoring material for lithium-sulfur batteries: a first-principles study, Applied Surface Science, 2019, 486, 281-286. (IF: 5.155)

 48. DaWei Ding, Kai Liu, Qikui Fan, Bitao Dong, Yang Zhang, Yadong Yin, Chuanbo Gao, Shujiang Ding, Nickel Nanoparticles Individually Encapsulated in Densified Ceramic Shells for Thermally Stable Solar Energy Absorption, Journal of Material Chemistry A, 2019, 7: 3039-3045. (IF: 10.733)

 47. Yang Zhang,* Zhi-Feng Wu, Peng-Fei Gao, Dang-Qi Fang, Er-Hu Zhang, Sheng-Li Zhang, Strain-tunable electronic and optical properties of BC₃ monolayer, RSC Adv., 2018, 8: 1686. (IF: 2.936)

 46. Xu Chen, Pengfei Gao, Huan Liu, Jingjing Xu, Bo Zhang, Yang Zhang, Yuhai Tang, Chunhui Xiao. In situ growth of iron-nickel nitrides on carbon nanotubes with enhanced stability and activity for oxygen evolution reaction. Electrochimica Acta, 2018, 267: 8. (IF: 5.116)

 45. Peng-Fei Gao, Yang Zhang, Xi Chen, Zhi-Feng Wu, Quan Zhang, Sheng-Li Zhang, OPGs: Promising Anode Materials with High Specific Capacity and Rate Capability for Li/Na Ion Batteries, 2018, Nanoscale, 2018, 10: 17942. (IF: 7.233)

 44. Yachao Liu, Hongtao Ren,  Pengfei Gao, Yang Zhang, Minggang Xia, Shengli Zhang, Flexible modulation of electronic and magnetic properties of zigzag H-MoS2 nanoribbons by crack defects, Journal of Physics: Condensed Matter, 2018, 30: 285302. (IF: 2.617)

 43. Yang Zhang,* Zhi-Feng Wu, Peng-Fei Gao, Dang-Qi Fang, Sheng-Li Zhang, Enhanced visible light absorption in ZnO/GaN heterostructured nanofilms, J. Alloy. Compd., 2017, 704: 478. (IF: 3.779)

 42. Yang Zhang,* Zhi-Feng Wu, Peng-Fei Gao, Dang-Qi Fang, Er-Hu Zhang, Sheng-Li Zhang, Structural, elastic, electronic, and optical properties of the tricycle-like phosphorene, Phys. Chem. Chem. Phys., 2017, 19: 2245. (IF: 3.906)

 41. Zhi-Feng Wu, Peng-Fei Gao, Lei Guo, Jun Kang, Dang-Qi Fang, Yang Zhang,* Ming-Gang Xia, Sheng-Li Zhang, Yu-Hua Wen, Robust indirect band gap and anisotropy of optical absorption in B-doped phosphorene, Phys. Chem. Chem. Phys., 2017, 19: 31796. (IF: 3.906)

 40. Pengfei Gao, Xi Chen, Lei Guo, Zhifeng Wu, Erhu Zhang, Baihua Gong, Yang Zhang,* Shengli Zhang, BN-schwarzite: novel boron nitride spongy crystals, Phys. Chem. Chem. Phys., 2017, 19: 1167. (IF: 3.906)

 39. D. Q. Fang, X. Chen, P. F. Gao, Y. Zhang, S. L. Zhang, Mono- and Bi-Layer ZnSnN 2 Sheets for Visible Light Photocatalysis: First-Principles Predictions, Journal of Physical Chemistry C, 2017, 121: 26063. (IF: 4.484)

 38. Rao Huang, Gui-Fang Shao, Yang Zhang, Yu-Hua Wen, Thermal Stability of Platinum-Cobalt Bimetallic Nanoparticles: Chemically Disordered Alloys, Ordered Intermetallics, and Core-Shell Structures, ACS Applied Materials & Interfaces, 2017, 9: 12486. (IF: 8.097)

 37. Yaming Ma, Zhengda He, Zhifeng Wu, Bo Zhang, Yang Zhang, Shujiang Ding, Chunhui Xiao, Galvanic-replacement mediated synthesis of copper–nickel nitrides as electrocatalyst for hydrogen evolution reaction, Journal of Materials Chemistry A, 2017, 5: 24850. (IF: 9.931)

 36. Xi Chen, Pengfei Gao, Lei Guo, Yanni Wen, Yang Zhang, Shengli Zhang, Two-dimensional ferromagnetism and spin filtering in Cr and Mn-doped graphdiyne, Journal of Physics and Chemistry of Solids, 2017, 105: 61. (IF: 2.207)

 35. Xi Chen, Pengfei Gao, Lei Guo, Yanni Wen, Dangqi Fang, Baihua Gong, Yang Zhang, Shengli Zhang, High-efficient physical adsorption and detection of formaldehyde using Sc- and Ti-decorated graphdiyne, Physics Letters A, 2017, 381: 879. (IF: 1.863)

 34. Yan-Ni Wen, Peng-Fei Gao, Xi Chen, Ming-Gang Xia, Yang Zhang,* Sheng-Li Zhang*, Width-dependent structural stability and magnetic properties of monolayer zigzag MoS2 nanoribbons, Modern Physics Letters B, 2017, 31:  1750017. (IF: 0.731)

  33. Yang Zhang,* Zhi-Feng Wu, Peng-Fei Gao, Sheng-Li Zhang, Yu-Hua Wen, Could Borophene Be Used as a Promising Anode Material for High-Performance Lithium Ion Battery? ACS Appl. Mater. Interfaces, 2016, 8: 22175. (IF: 8.097)

 32. Yang Zhang,* Dang-Qi Fang, Sheng-Li Zhang, Rao Huang, Yu-Hua Wen, Structural and electronic properties of ZnO/GaN heterostructured nanowires from first-principles study, Phys. Chem. Chem. Phys., 2016, 18: 3097. (IF: 3.906)

 31. Haixia Dong, Yang Zhang,* Dang-Qi Fang, Bai-Hua Gong, Er-Hu Zhang, Sheng-Li Zhang, Metal-semiconductor-metal transition in zigzag carbon nanoscrolls, Nanoscale, 2016, 8: 2887. (IF: 7.233)

 30. Yang Zhang,* Zhi-Feng Wu, Peng-Fei Gao, Er-Hu Zhang, Sheng-Li Zhang, Intrinsic magnetic properties of ZnO nanoislands: Insight from first-principles study, Phys. Lett. A, 2016, 380: 1324. (IF: 1.863)

 29. D. Q. Fang, Y. Zhang, S. L. Zhang. Band gap engineering of ZnSnN2/ZnO (001) short-period superlattices via built-in electric field, Journal of Applied Physics, 2016, 120: 215703. (IF: 2.176)

 28. D. Q. Fang, Y. Zhang, S. L. Zhang, Magnetism from 2p states in K-doped ZnO monolayer: A density functional study, EPL, 2016, 114: 47012. (IF: 1.834)

 27. Haixia Dong, Dangqi Fang, Baihua Gong, Yang Zhang, Erhu Zhang, and Shengli Zhang, Electronic and magnetic properties of zigzag silicene nanoribbons with Stone-Wales defects, Journal of Applied Physics, 2015, 117: 064307.

 26. Hai-Xia Dong, Bai-Hua Gong, Dang-Qi Fang, Yang Zhang, Er-Hu Zhang, Sheng-Li Zhang, First-principles study of the atomic structure and edge state of zigzag carbon nanoscrolls, Modern Physics Letters B, 2015, 29: 1550110.

 25. Yang Zhang,* Dang-Qi Fang, Sheng-Li Zhang, Yu-Hua Wen, Zi-Zhong Zhu, Structures and electronic properties of oxidized graphene from first-principles study, EPL, 2014, 105: 37005.

 24. Dangqi Fang, Yang Zhang, Shengli Zhang, Silicane nanoribbons: electronic structure and electric field modulation, New Journal of Physics, 2014, 16: 115006.

 23. Xi Chen, Dang-Qi Fang, Yang Zhang, Bai-Hua Gong, Sheng-Li Zhang, Novel electronic transport of zigzag graphdiyne nanoribbons induced by edge states, EPL, 2014, 107: 57002.

 22. D.Q. Fang, R.Q. Zhang, Y. Zhang, S.L. Zhang, Effect of oxygen and zinc vacancies in ferromagnetic C-doped ZnO: Density-functional calculations, Journal of Magnetism and Magnetic Materials, 2014, 354: 257.

 21. C.H. Hu, Y. Zhang, H.Y. Liu, S.Q. Wu, Y. Yang, Z.Z. Zhu, Tunable band gap in half-fluorinated bilayer graphene under biaxial strains, Computational Materials Science, 2012, 65: 165.

 20. Yang Zhang, Chun-Hua Hu, Yu-Hua Wen, Shun-Qing Wu, Zi-Zhong Zhu, Strain-tunable band gap of hydrogenated bilayer graphene, New Journal of Physics, 2011, 13: 063047.

 19. Yang Zhang, Yu-Hua Wen, Zi-Zhong Zhu, Shi-Gang Sun, Structure and Stability of Fe Nanocrystals: An Atomistic Study, J. Phys. Chem. C, 2010, 114: 18841. （期刊官网推荐文章）

 18. Yang Zhang, Shun-Qing Wu, Yu-Hua Wen, Zi-Zhong Zhu, Surface-passivation-induced metallic and magnetic properties of ZnO graphitic sheet, Applied Physics Letters, 2010, 96: 223113.

 17. Yang Zhang, Yu-Hua Wen, Jin-Cheng Zheng, Zi-Zhong Zhu, Strain-induced structural and direct-to-indirect band gap transition in ZnO nanotubes, Physics Letters A, 2010, 374: 2846.

 16. Yang Zhang, Yu-Hua Wen, Jin-Cheng Zheng, Zi-Zhong Zhu, Energetic and structural evolution of gold nanowire under heating process: A molecular dynamics study, Physics Letters A, 2009, 373: 3454.

 15. Yang Zhang, Yu-Hua Wen, Jin-Cheng Zheng, Zi-Zhong Zhu, Direct to indirect band gap transition in ultrathin ZnO nanowires under uniaxial compression, Applied Physics Letters, 2009, 94: 113114.

 14. C.H. Hu, Y. Zheng, Y. Zhang, S.Q. Wu, Y.H. Wen, Z.Z. Zhu, Electronic and magnetic properties of silicon adsorption on graphene, Solid State Communications, 2011, 151: 1128.

 13. Yu-Hua Wen, Yang Zhang, Shun-Qing Wu, Zi-Zhong Zhu, Size-dependent elastic properties of single-walled ZnO nanotubes: A first-principles study, Journal of Applied Physics, 2011, 109: 084325.

 12. Liang Wu, Yang Zhang, Yu-Hua Wen, Zi-Zhong Zhu, Shi-Gang Sun, Molecular dynamics investigation of structural evolution of fcc Fe nanoparticles under heating process, Chemical Physics Letters, 2011, 502: 207.

 11. Jun Kang, Yang Zhang, Yu-Hua Wen, Jin-Cheng Zheng, Zi-Zhong Zhu, First-principles study on the structural and electronic properties of ultrathin ZnO nanofilms, Physics Letters A, 2009, 374: 1054.

 10. Yu-Hua Wen, Yang Zhang, Jin-Cheng Zheng, Zi-Zhong Zhu, Shi-Gang Sun, Orientation-Dependent Structural Transition and Melting of Au Nanowires, Journal of Physical Chemistry C, 2009, 113: 20611.

 9. Yang Zhang, Jianhua Zhang, Yuhua Wen, Zizhong Zhu, The deformation mechanism of nanofilm with void under tensile loading: An atomistic simulation study, Acta Physica Sinica, 2008, 5: 7094. 

 8. Yuhua Wen, Yang Zhang, Zizhong Zhu, Size-dependent effects on equilibrium stress and strain in nickel nanowires, Physical Review B, 2007, 76: 125423.

 7. Zhi-Gang Wang, Liang Wu, Yang Zhang, Yu-Hua Wen, Phase transition and coalescence behavior of fcc Fe nanoparticles: a molecular dynamics study, Acta Physica Sinica, 2011, 60: 1358.

 6. Yu-Hua Wen, Yang Zhang, Quan Wang, Jin-Cheng Zheng, Zi-Zhong Zhu, Orientation-dependent mechanical properties of Au nanowires under uniaxial loading, Computational Materials Science, 2010, 48: 513.

 5. Zhi-Gang Wang, Yang Zhang, Yu-Hua Wen, Zi-Zhong Zhu, First-principles calculation of structural stability and electronic properties of ZnO atomic chains, Acta Physica Sinica, 2010, 59: 2051.

 4. Jian-Hua Zhang, Yang Zhang, Yu-Hua Wen, Zi-Zhong Zhu, Comparative study of Cu-13 and Co-13 clusters deposition and diffusion on the Cu(001) surface, Computational Materials Science, 2010, 48: 250.

 3. Yu-Hua Wen, Yang Zhang, Zi-Zhong Zhu, Shi-Gang Sun, Surface energetic and bonding characteristics of tetrahexahedral platinum nanocrystals enclosed by high-index facets, Chinese Physics B, 2009, 18: 4955.

 2. Yu-Hua Wen, Yang Zhang, Zi-Zhong Zhu, Shi-Gang Sun, An atomistic simulation of structural evolution and melting characteristics of Pt nanocrystal during continuous heating, Acta Physica Sinica, 2009, 58: 2585.

 1. Yu-Hua Wen, Yang Zhang, Zi-Zhong Zhu, The nonlinear elastic behavior of crystalline solids: An atomistic simulation study, Acta Physica Sinica, 2008, 57: 1834.

More details: https://www.researchgate.net/profile/Yang_Zhang77